CID 7020043

(2s)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-n-naphthalen-2-ylpentanamide

Structural Information

Molecular Formula
C18H24N6O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN
InChI
InChI=1S/C18H24N6O2/c19-11-16(25)24-15(6-3-9-22-18(20)21)17(26)23-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15H,3,6,9,11,19H2,(H,23,26)(H,24,25)(H4,20,21,22)/t15-/m0/s1
InChIKey
CINAWZLZLRIIIU-HNNXBMFYSA-N
Compound name
(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

356.19608 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20336 181.6
[M+Na]+ 379.18530 182.4
[M-H]- 355.18880 184.8
[M+NH4]+ 374.22990 192.7
[M+K]+ 395.15924 180.5
[M+H-H2O]+ 339.19334 172.2
[M+HCOO]- 401.19428 205.6
[M+CH3COO]- 415.20993 232.6
[M+Na-2H]- 377.17075 183.2
[M]+ 356.19553 176.6
[M]- 356.19663 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.