CID 469560

2-[3,6-bis(n-isopropylcarbamimidoyl)carbazol-9-yl]acetic acid

Structural Information

Molecular Formula
C22H27N5O2
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(=NC(C)C)N)CC(=O)O)N
InChI
InChI=1S/C22H27N5O2/c1-12(2)25-21(23)14-5-7-18-16(9-14)17-10-15(22(24)26-13(3)4)6-8-19(17)27(18)11-20(28)29/h5-10,12-13H,11H2,1-4H3,(H2,23,25)(H2,24,26)(H,28,29)
InChIKey
APXDMAQLRMJLLH-UHFFFAOYSA-N
Compound name
2-[3,6-bis(N'-propan-2-ylcarbamimidoyl)carbazol-9-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.21646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22374 197.9
[M+Na]+ 416.20568 202.7
[M-H]- 392.20918 202.7
[M+NH4]+ 411.25028 210.7
[M+K]+ 432.17962 199.6
[M+H-H2O]+ 376.21372 189.5
[M+HCOO]- 438.21466 218.6
[M+CH3COO]- 452.23031 239.2
[M+Na-2H]- 414.19113 196.1
[M]+ 393.21591 198.8
[M]- 393.21701 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.