CID 7408583

19351-10-1

Structural Information

Molecular Formula
C22H33N5O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C22H33N5O2/c23-13-5-3-9-19(25)21(28)27-20(10-4-6-14-24)22(29)26-18-12-11-16-7-1-2-8-17(16)15-18/h1-2,7-8,11-12,15,19-20H,3-6,9-10,13-14,23-25H2,(H,26,29)(H,27,28)/t19-,20-/m0/s1
InChIKey
HTYMMICSVLHGRB-PMACEKPBSA-N
Compound name
(2S)-2,6-diamino-N-[(2S)-6-amino-1-(naphthalen-2-ylamino)-1-oxohexan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.26343 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.27071 197.3
[M+Na]+ 422.25265 196.4
[M-H]- 398.25615 198.4
[M+NH4]+ 417.29725 206.4
[M+K]+ 438.22659 193.1
[M+H-H2O]+ 382.26069 187.8
[M+HCOO]- 444.26163 217.3
[M+CH3COO]- 458.27728 238.1
[M+Na-2H]- 420.23810 195.9
[M]+ 399.26288 193.2
[M]- 399.26398 193.2
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.