CID 127261863

90836-22-9

Structural Information

Molecular Formula
C19H26N6O2
SMILES
C[C@@H](C(=O)N(C1=CC2=CC=CC=C2C=C1)[C@@H](CCCN=C(N)N)C(=O)N)N
InChI
InChI=1S/C19H26N6O2/c1-12(20)18(27)25(16(17(21)26)7-4-10-24-19(22)23)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11-12,16H,4,7,10,20H2,1H3,(H2,21,26)(H4,22,23,24)/t12-,16-/m0/s1
InChIKey
ARVVUOQBWZHPPJ-LRDDRELGSA-N
Compound name
(2S)-2-[[(2S)-2-aminopropanoyl]-naphthalen-2-ylamino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.21173 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21901 189.3
[M+Na]+ 393.20095 189.5
[M-H]- 369.20445 193.3
[M+NH4]+ 388.24555 200.0
[M+K]+ 409.17489 189.2
[M+H-H2O]+ 353.20899 179.9
[M+HCOO]- 415.20993 211.8
[M+CH3COO]- 429.22558 239.8
[M+Na-2H]- 391.18640 187.3
[M]+ 370.21118 184.3
[M]- 370.21228 184.3
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.