CID 494617

Nsc627898

Structural Information

Molecular Formula
C19H21N5O3
SMILES
C1=CC=C2C(=C1)C(=NC(CCCN=C(N)N)C(=O)O)C3=CC=CC=C3N2O
InChI
InChI=1S/C19H21N5O3/c20-19(21)22-11-5-8-14(18(25)26)23-17-12-6-1-3-9-15(12)24(27)16-10-4-2-7-13(16)17/h1-4,6-7,9-10,14,27H,5,8,11H2,(H,25,26)(H4,20,21,22)
InChIKey
GKTDYQAIWFEIFB-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)-2-[(10-hydroxyacridin-9-ylidene)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.16443 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 182.6
[M+Na]+ 390.15365 188.2
[M-H]- 366.15715 185.8
[M+NH4]+ 385.19825 193.7
[M+K]+ 406.12759 184.1
[M+H-H2O]+ 350.16169 173.4
[M+HCOO]- 412.16263 204.3
[M+CH3COO]- 426.17828 227.9
[M+Na-2H]- 388.13910 187.9
[M]+ 367.16388 182.2
[M]- 367.16498 182.2
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.